SCHEMBL5997657

SCHEMBL5997657

COc1cccc2c1CC1C=CC2C1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.41
DRD2 P14416 3/20 0.39
DRD3 P35462 3/20 0.39
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
HTR2A P28223 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CHRM2 P08172 2/20 0.38
CHRM1 P11229 2/20 0.38
CHRM3 P20309 2/20 0.38
SIGMAR1 Q99720 1/20 0.37
DRD4 P21917 2/20 0.37
ADRA1A P35348 1/20 0.37
CYP19A1 P11511 1/20 0.37
HSD11B1 P28845 1/20 0.37
HTR1A P08908 4/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL15586456 0.73 HTR2A (0.42) SLC6A2SLC6A4SLC6A3HTR2ACA1
SCHEMBL5995198 0.71 POLL (0.47) ACHEHTR2ACA1CA2CYP19A1
SCHEMBL4403294 0.69 CYP19A1 (0.44) ACHEDRD2DRD3SLC6A2SLC6A4
SCHEMBL25604495 0.68 ACHE (0.44) ACHEDRD2DRD3SLC6A2SLC6A4
SCHEMBL5995147 0.68 CHRNB2 (0.44)
SCHEMBL15773405 0.67 HSD11B1 (0.48) ACHEDRD2DRD3CHRM2CHRM1
SCHEMBL3148251 0.67 HTR2A (0.54) ACHEDRD2DRD3HTR2ACHRM2
SCHEMBL5997652 0.67 HSD11B1 (0.42) ACHEDRD2DRD3SLC6A2SLC6A4
SCHEMBL6153138 0.66 HTR2C (0.46) DRD2HTR2ACA1CA2CYP19A1
SCHEMBL15773366 0.66 ACHE (0.49) ACHEDRD2DRD3SLC6A2SLC6A4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7122534-B2 Aryl fused azapolycyclic compounds PFIZER INC (US) 2006-10-17 US disclosed
US-20040167149-A1 Aryl fused azapolycyclic compounds PFIZER INC 2004-08-26 US disclosed
US-6706702-B2 FOR THERAPY OF NEUROLOGICAL AND PSYCHOLOGICAL DISORDERS PFIZER INC. 2004-03-16 US disclosed
EP-1076650-B1 ARYL FUSED AZAPOLYCYCLIC COMPOUNDS PFIZER PROD INC (US) 2004-02-04 EP disclosed
US-20030130261-A1 Aryl fused azapolycyclic compounds PFIZER INC 2003-07-10 US disclosed
US-20030008890-A1 Aryl fused azapolycyclic compounds COE JOTHAM WADSWORTH (US) 2003-01-09 US disclosed
US-6462035-B1 BINDING TO NEURONAL NICOTINIC ACETYLCHOLINE SPECIFIC RECEPTOR; MODULATING CHOLINERGIC FUNCTION; REDUCING NICOTINE ADDICTION; INFLAMMATORY AND IRRITABLE BOWEL SYNDROME, SPASTIC DYSTONIA, CHRONIC AND ACUTE PAIN, EATING DISORDERS PFIZER INC. 2002-10-08 US disclosed
EP-1076650-A1 ARYL FUSED AZAPOLYCYCLIC COMPOUNDS Pfizer Products Inc. (US) 2001-02-21 EP disclosed
WO-1999055680-A1 ARYL FUSED AZAPOLYCYCLIC COMPOUNDS PFIZER PRODUCTS INC. (US) 1999-11-04 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20030130261-A1 Aryl fused azapolycyclic compounds GRIN2C, GRIN2A, GRIN3A ACHE 237/4885DRD2 75/4885DRD3 82/4885
US-20030008890-A1 Aryl fused azapolycyclic compounds GRIN2C, GRIN2A, NR3C1 ACHE 176/4885DRD2 75/4885DRD3 78/4885
US-20040167149-A1 Aryl fused azapolycyclic compounds GRIN2C, GRIN2A, NR3C1 ACHE 176/4885DRD2 75/4885DRD3 78/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.